lithium 2-methylpropyl(2-oxopropanoyl)azanide

C7H12LiNO2 — CID 143020801

IUPAClithium 2-methylpropyl(2-oxopropanoyl)azanide
SMILESCC(=O)C(=O)[N-]CC(C)C.[Li+]
InChIInChI=1S/C7H13NO2.Li/c1-5(2)4-8-7(10)6(3)9;/h5H,4H2,1-3H3,(H,8,10);/q;+1/p-1
InChIKeyIYKLCGCQSQGBDP-UHFFFAOYSA-M
MW149.12 g/mol
LogP-1.86
Rot. Bonds3

About lithium 2-methylpropyl(2-oxopropanoyl)azanide

lithium 2-methylpropyl(2-oxopropanoyl)azanide (PubChem CID 143020801) has the molecular formula C7H12LiNO2 and a molecular weight of 149.12 g/mol. Its IUPAC name is lithium 2-methylpropyl(2-oxopropanoyl)azanide.

Molecular Properties

Compound Namelithium 2-methylpropyl(2-oxopropanoyl)azanide
PubChem CID143020801
Molecular FormulaC7H12LiNO2
Molecular Weight149.12 g/mol
Exact Mass149.10
IUPAC Namelithium 2-methylpropyl(2-oxopropanoyl)azanide
SMILESCC(=O)C(=O)[N-]CC(C)C.[Li+]
InChIInChI=1S/C7H13NO2.Li/c1-5(2)4-8-7(10)6(3)9;/h5H,4H2,1-3H3,(H,8,10);/q;+1/p-1
InChIKeyIYKLCGCQSQGBDP-UHFFFAOYSA-M
XLogP-1.86
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride
CID 160744441
bis(2-methylpropyl)azanide;titanium;hydrochloride
CID 174409370
acetic acid;2-methylbutane
CID 172862544
acetic acid;methanamine;2-methylpropane-1-sulfonic acid
CID 174998027
lithium;hydride;3-methylbutan-2-one
CID 173095274
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
2-methyl-3-oxobutane-1-sulfonic acid
CID 174550329
(3E)-3-(1-hydroxyethylidene)-5-methylhexan-2-one
CID 15903424
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
(Z)-4-hydroxy-6-methyl-3-nitrosohept-3-en-2-one
CID 135823909
ethyl-[ethyl(propan-2-yl)carbamoyl]azanide;neodymium
CID 171845858

Frequently Asked Questions

What is the IUPAC name of lithium 2-methylpropyl(2-oxopropanoyl)azanide?
The IUPAC name of lithium 2-methylpropyl(2-oxopropanoyl)azanide (CID 143020801) is lithium 2-methylpropyl(2-oxopropanoyl)azanide.
What is the SMILES notation for lithium 2-methylpropyl(2-oxopropanoyl)azanide?
The canonical SMILES for lithium 2-methylpropyl(2-oxopropanoyl)azanide is CC(=O)C(=O)[N-]CC(C)C.[Li+].
What is the InChIKey of lithium 2-methylpropyl(2-oxopropanoyl)azanide?
The InChIKey is IYKLCGCQSQGBDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO2.Li/c1-5(2)4-8-7(10)6(3)9;/h5H,4H2,1-3H3,(H,8,10);/q;+1/p-1.
What are the key properties of lithium 2-methylpropyl(2-oxopropanoyl)azanide?
lithium 2-methylpropyl(2-oxopropanoyl)azanide has a molecular weight of 149.12 g/mol, XLogP of -1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylpropyl(2-oxopropanoyl)azanide is sourced from PubChem (CID 143020801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).